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Polaris @polarishub.io · 28/11/2025

1/ Exciting update from the Multiomics Steering Committee on Polaris! Read the letter: polarishub.io/guidelines/m...

Polaris @polarishub.io · 30/04/2025

(1/3) 🎉 Exciting Updates: Antiviral Unblinded Datasets! 🎉 Following the release of the ASAP Discovery x OpenADMET antiviral challenge leaderboard, the evaluation code is now open-sourced and the unblinded datasets are available on Polaris. Unblinded Datasets: polarishub.io/datasets?acc...

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Polaris @polarishub.io · 08/04/2025

and Rob Moccia (formerly Pfizer), Cuong Q. Nguyen (formerly GSK), Nate Robichaud (Nomic), William J. Godinez (Novartis), Tommaso Biancalani (Genentech), and Kristina Ulicna (Valence Labs). 🧵

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Polaris @polarishub.io · 08/04/2025

Led by experts from academia and industry, the committee includes: Oren Kraus (Recursion), Judith Mueller (Merck), Ali Denton (Valence Labs), Fabian J. Theis (Helmholtz Munich), Paula A. Marin Zapata (Bayer), Anne E. Carpenter (Broad Institute), Ian Barrett (AstraZeneca)... 🧵

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Polaris @polarishub.io · 08/04/2025

We're thrilled to announce the formation of the new Multiomics Steering Committee! By "multiomics" we refer to the integration of high-dimensional data modalities at the cellular level, encompassing molecular (DNA, RNA, protein) and phenotypic (imaging-based, multi-cell-line viability) readouts. 🧵

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Polaris @polarishub.io · 21/03/2025

🔔 Stay Updated! For future challenges & collaborative opportunities, subscribe to our mailing list. ✉️ polarishub.io#subscribe-to...

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Polaris @polarishub.io · 21/03/2025

🚀 Antiviral Challenge Results! 🚀 After weeks of competition, and nearly 400 submissions, the antiviral challenge has concluded! Thank you to all of our participants. Each submission came with a report — check out the full leaderboard and find more details 👇

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Polaris @polarishub.io · 09/03/2025

📢 Antiviral Challenge Deadline Extended! 🦠 We’ve extended the deadline for the Antiviral Challenge until March 14th at 12:00 PM ET! 💡 To be eligible for the final leaderboard, you’ll need to share a short (~1 page) report about your method. Submit here: polarishub.io/competitions

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Polaris @polarishub.io · 03/03/2025

🚀 Leaderboard Update: Antiviral Challenge! 🚀 The latest rankings are in—check out where you stand: antiviral.polarishub.io Missed this update? No worries, you still have time to compete! The challenge runs until March 10th at midnight. Get started today: polarishub.io/competitions

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Polaris @polarishub.io · 25/02/2025

Did you miss the cutoff for the last intermediate leaderboard of the antiviral challenge? We’re doing one last leaderboard update before the challenge ends on March 10th! Submit something by midnight, Feb 26th, to see how you place. Submit your results today: polarishub.io/competitions

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Polaris @polarishub.io · 20/02/2025

Today, we’re excited to welcome Nicola Richmond (@recursionpharma.bsky.social), Michael Reutlinger (Roche), and Nils Weskamp (@boehringerglobal.bsky.social) to the Small Molecule Steering Committee at Polaris! Learn more about what the steering committee is up to: polarishub.io/guidelines

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Polaris @polarishub.io · 17/02/2025

⚡ The intermediate leaderboard for the antiviral challenge is now live! 👀 See how you placed: antiviral.polarishub.io The challenge officially ends on March 10th, but there's one last leaderboard update before the final results. Submit before midnight on Feb 26th! polarishub.io/competitions

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Polaris @polarishub.io · 13/02/2025

We’re hosting @peterskrinjar.bsky.social for a webinar to discuss his latest paper “Have protein co-folding methods moved beyond memorization?”! Join live on Feb 21st at 11 AM ET. Register here: us06web.zoom.us/webinar/regi... Explore Runs N’ Poses on Polaris today: polarishub.io/benchmarks/p...

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Polaris @polarishub.io · 10/02/2025

We’re extremely excited to host Runs N’ Poses on Polaris! The authors show how current co-folding methods struggle to generalize beyond ligand poses in their training data. Explore the benchmark: polarishub.io/benchmarks/p... Explore the dataset: polarishub.io/datasets/pli...

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Polaris @polarishub.io · 31/01/2025

🚨 Extension Alert: The intermediate leaderboard submission deadline for the antiviral challenge has been extended to midnight on February 7th! Don't miss this chance to see how you stack up against other participants! Submit your results today: polarishub.io/competitions

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Polaris @polarishub.io · 30/01/2025

Explore hundreds of ML-ready datasets and benchmarks on Polaris today! The antiviral challenge with @asapdiscovery.bsky.social and @omsf.io is also live! If you're looking to test your skills on new, consistently generated data, now's your chance: polarishub.io/competitions

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Polaris @polarishub.io · 30/01/2025

💻 ML-ready datasets — download what you need from Polaris and start training. No pre-processing and no wrangling with different file formats. It only takes a few lines of code to download what you need from Polaris!

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Polaris @polarishub.io · 30/01/2025

You’ve heard us talk about our mission to be the source of truth for the ML community in drug discovery. But what does that really mean, and how does it shape the way Polaris is built? In the latest blog, we break down the key design choices that make this possible: polarishub.io/blog/reprodu...

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Polaris @polarishub.io · 27/01/2025

💡Have questions about the data behind the antiviral challenge?💡 This week, @asapdiscovery.bsky.social and @omsf.io are hosting 3 virtual office hour sessions with the experimentalists behind the data! RSVP here: docs.google.com/forms/d/e/1F...

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Polaris @polarishub.io · 24/01/2025

But decoding molecular structures from mass spectra is incredibly challenging, even for human experts. That’s why researchers are increasingly turning to machine learning to tackle this problem. ML aims to make structure elucidation from mass spec data faster, more accurate, and more scalable

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Polaris @polarishub.io · 24/01/2025

For example, Rapamycin: a potent immunosuppressant, was first discovered in soil samples from Easter Island. Mass spec was used to reveal its structure, sparking a billion-dollar drug industry. It’s used to prevent organ transplant rejection, in cancer therapies, and has anti-aging potential.

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Polaris @polarishub.io · 24/01/2025

Mass spec plays a key role in identifying and characterizing molecules, particularly in biological and environmental samples. This is vital for advancing biomedical and chemical sciences—especially since ~half of today’s pill-based medicines were first discovered in nature.

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Polaris @polarishub.io · 23/01/2025

📣 We heard your feedback! We’ll be putting all results submitted by Jan 31st on an intermediate leaderboard so you can see how you rank across other participants in the antiviral challenge. Ready to put your predictions to the test? 📨 Submit your results today: polarishub.io/competitions

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Polaris @polarishub.io · 16/01/2025

The paper introduces a dataset of drug-like molecules that contains 16M+ conformations of 2M+ molecules. They also proposed a new benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks.

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Polaris @polarishub.io · 14/01/2025

🧪 Ligand ADMET & Potency: Predict potency and various ADMET endpoints: github.com/asapdiscover...

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Polaris @polarishub.io · 14/01/2025

🧩 Ligand Poses: Predict MERS-CoV Mpro poses using knowledge from the SARS-CoV-2 Mpro crystallography data that ASAP created: github.com/asapdiscover...

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Polaris @polarishub.io · 14/01/2025

🏁 The antiviral challenge is live! 🏁 Ready to test your skills on new data? Hosted in partnership with @asapdiscovery.bsky.social and @omsf.io, we've prepared detailed notebooks showcasing how to format your data and submit your solutions. 🧑‍💻

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Polaris @polarishub.io · 10/01/2025

🧪 The authors curated a collection of 9 small molecule datasets across 5 therapeutic target classes, introduced a hierarchical curation pipeline, and a standardized evaluation framework to help improve the state of benchmarking in small molecule drug discovery.

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Polaris @polarishub.io · 03/01/2025

🛠️ 10 Days Until the Antiviral Competition Begins🛠️ Hosted by @asapdiscovery.bsky.social and @omsf.io, the competition allows participants to test their skills across three sub-challenges focused on SARS-CoV-2 and MERS-CoV Mpro. Here’s how you can prepare effectively 👇

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Polaris @polarishub.io · 18/12/2024

📊 Imagining the Future of ML Evaluation in Drug Discovery Our recent paper discussed the limitations of static leaderboards—they never tell the full story. What if we had a better and easier way of evaluating methods? A vision for the future, in the latest blog 🧵 polarishub.io/blog/imagini...

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Polaris @polarishub.io · 16/12/2024

5️⃣ ”BindingGYM: A Large-Scale Mutational Dataset Toward Deciphering Protein-Protein Interactions” www.biorxiv.org/content/10.1...

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Polaris @polarishub.io · 16/12/2024

4️⃣ ”Benchmarking Transcriptomics Foundation Models for Perturbation Analysis: one PCA still rules them all” arxiv.org/abs/2410.13956

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Polaris @polarishub.io · 16/12/2024

3️⃣ ”DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning” www.arxiv.org/abs/2410.02023

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Polaris @polarishub.io · 16/12/2024

2️⃣ ”PerturBench: Benchmarking Machine Learning Models for Cellular Perturbation Analysis” arxiv.org/abs/2408.10609

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Polaris @polarishub.io · 16/12/2024

1️⃣ "PertEval-scFM: Benchmarking Single-Cell Foundation Models for Perturbation Effect Prediction” www.biorxiv.org/content/10.1...

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Polaris @polarishub.io · 16/12/2024

Andddddd that’s a wrap on #NeurIPS2024! It was exciting to see a good amount of dataset and benchmarking papers at the AIDrugX workshop. If you missed it, check them out below👇

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Polaris @polarishub.io · 15/12/2024

We’re at #NeurIPS2024! Catch @jonnyhsu.bsky.social at the BELKA Competition workshop with the @leashbio.bsky.social team, where he’ll give an overview of Polaris. Tune in at 3:00 PM in the West meeting rooms 215 and 216. Find the full schedule: neurips.cc/virtual/2024...

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Polaris @polarishub.io · 13/12/2024

RxRx3-core is the latest certified dataset from @recursionpharma.bsky.social that includes labeled images of 735 genetic knockouts and 1,674 small-molecule perturbations. The related benchmark evaluates the zero-shot prediction of compound-gene activity.

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Polaris @polarishub.io · 13/12/2024

🛡️ New certified dataset and benchmark from @recursionpharma.bsky.social! Did you know that high-dimensional data like cell images (i.e. phenomics) can help us understand the relationship between compounds and genes? 🧵 Dataset: polarishub.io/datasets/rec... Benchmark: polarishub.io/benchmarks/r...

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Polaris @polarishub.io · 09/12/2024

What are the most interesting datasets and benchmark-related work for ML in drug discovery at NeurIPS? We’ll be at the conference doing short interviews with researchers and handing out some Polaris merch! Here’s who we have on the shortlist. 🧵

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Polaris @polarishub.io · 03/12/2024

The competition will officially start on Jan 13th and end on Mar 10th. Looking to form a team? Have some questions? Join the convo on Discord: discord.gg/cS6Nfj58Gf

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Polaris @polarishub.io · 03/12/2024

🧪 ADMET Prediction Given a training set of endpoints, predict the same endpoints for a blind set of compounds Access the sample data: polarishub.io/datasets/asa...

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Polaris @polarishub.io · 03/12/2024

💥 Potency Prediction Given a training set of dose-response fluorescence potency data, predict potencies for a blind set of compounds for both targets Access the sample data: polarishub.io/datasets/asa...

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Polaris @polarishub.io · 03/12/2024

🧩 Ligand Poses Given a training set of SARS-CoV-2 Mpro X-ray structures, predict the poses of a test set of compounds for SARS-CoV-2 and MERS-CoV Mpro Access the sample data: polarishub.io/datasets/asa...

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Polaris @polarishub.io · 03/12/2024

🦠 We’re excited to announce our first competition in partnership with @asapdiscovery.bsky.social and @omsf.io! Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵 Full details: polarishub.io/competitions Blog: polarishub.io/blog/antivir...

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Polaris @polarishub.io · 28/11/2024

Happy Thanksgiving! We’re cooking up something new for next week… 🦃 Stay tuned: polarishub.io#subscribe-to...

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Polaris @polarishub.io · 25/11/2024

The first paper from the Small Molecule Steering Committee at Polaris introduced practical guidelines for method comparison in ML-driven drug discovery. We'll be discussing this live on Dec 5th from 11 - 12 PM ET. Join the convo: portal.valencelabs.com/events/post/...

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Polaris @polarishub.io · 25/11/2024

Good morning Bluesky 🌞 Did you know that BELKA is on Polaris? It has ~100M small molecules from DELs screened against 3 protein targets. Raw dataset = ~4.25B physical measurements. Access this dataset from @leashbio.bsky.social today: polarishub.io/datasets/lea...

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